SCHEMBL29360309

SCHEMBL29360309

CCCCOC(=O)N1CC/C(=C(\C)C#N)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 5/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
HRH2 P25021 4/20 0.36
HRH1 P35367 4/20 0.36
HRH3 Q9Y5N1 1/20 0.34
CYP1A2 P05177 1/20 0.34
GRM5 P41594 1/20 0.34
CNR2 P34972 1/20 0.34
BCHE P06276 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29359100 0.79 SMN1; SMN2 (0.46) SMN1; SMN2POLBLMNAKDM4EALDH1A1
SCHEMBL7380124 0.76 SMN1; SMN2 (0.54) SMN1; SMN2POLBLMNAMAPTKDM4E
SCHEMBL28682513 0.75 ESR2 (0.46) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL28682642 0.75 ESR2 (0.46) SMN1; SMN2LMNAMAPTKDM4EALDH1A1
SCHEMBL28684268 0.74 BPTF (0.33) MEN1KMT2A
SCHEMBL28684250 0.74 BPTF (0.33) MEN1KMT2A
SCHEMBL3697057 0.73 LMNA (0.51) SMN1; SMN2POLBLMNAKDM4EALDH1A1
SCHEMBL5814925 0.72 LMNA (0.61) SMN1; SMN2POLBLMNAMAPTKDM4E
SCHEMBL1444915 0.72 SMN1; SMN2 (0.61) SMN1; SMN2POLBLMNAMAPTKDM4E
SCHEMBL28484198 0.72 LMNA (0.49) SMN1; SMN2POLBLMNAPTGDR2HRH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941922-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-01-26 EP disclosed